Hydroquinine | CAS No. 522-66-7

Hydroquinine

Basic Information

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CAS Number

522-66-7

Molecular Formula

C20H26N2O2

Molecular Weight

326.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

168-176 °C

Boiling Point

498.4℃ at 760 mmHg

Flash Point

255.2℃

Refractive Index

1.6800 (estimate)

Specific Rotation

D18 -142° (alc); D20 -236° (c = 0.82 in 0.1N H2SO4)

SMILES

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CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34

InChI

InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1

InChIKey

LJOQGZACKSYWCH-WZBLMQSHSA-N

LogP

3.3972000000000024

pKa

5.33(at 25℃)

Topological Polar Surface Area

45.59 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

432

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

(1R)-((2S,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol
Hydroquinine
(-)-Dihydroquinine
(8a,9R)-10,11-Dihydro-6'-methoxycinchonan-9-ol
10,11-Dihydroquinine
dihydro quinine
Hydroquinine,Dihydroquinine
Quinine,10,11-dihydro
(8a,9R)-10,11-Dihydro-6′-methoxycinchonan-9-ol
NSC 41799

MDL Number

MFCD00151107

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Hydroquinone (CAS: 522-66-7)?

Hydroquinone (CAS: 522-66-7) is a white crystalline solid with a molecular weight of 118.12 g/mol. It is slightly soluble in water and more soluble in organic solvents. Hydroquinone is chemically reactive and can undergo oxidation and reduction reactions. It has a pKa of 9.28.

How is Hydroquinone (CAS: 522-66-7) typically synthesized?

Hydroquinone (CAS: 522-66-7) is synthesized via the direct oxidation of benzene with hydrogen peroxide or through the reduction of quinone methides. Common methods include the formaldehyde method and the sodium borohydride method. The yield is typically around 70-80%.

What industries use Hydroquinone (CAS: 522-66-7)?

Hydroquinone (CAS: 522-66-7) is used in the pharmaceutical industry for the synthesis of certain drugs, in the photographic industry as a developing agent, and in the polymer industry for dyeing and printing. It is also used in the production of semiconductors and as a reducing agent in various applications.

What precautions should be taken when handling Hydroquinone (CAS: 522-66-7)?

When handling Hydroquinone (CAS: 522-66-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, well-ventilated area away from heat and sources of ignition. In case of a spill, it should be handled by trained personnel using appropriate safety equipment and procedures. Always refer to the Safety Data Sheet (SDS) for specific handling instructions.